[6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-3-pyridinyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone

C22H32N6O — CID 45177975

IUPAC[6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-3-pyridinyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
SMILESCN(CC1CCCN1C)c1ccc(C(=O)N2CCC(Cn3cccn3)CC2)cn1
InChIInChI=1S/C22H32N6O/c1-25-11-3-5-20(25)17-26(2)21-7-6-19(15-23-21)22(29)27-13-8-18(9-14-27)16-28-12-4-10-24-28/h4,6-7,10,12,15,18,20H,3,5,8-9,11,13-14,16-17H2,1-2H3
InChIKeyULASPWIROQVGTO-UHFFFAOYSA-N
MW396.54 g/mol
LogP2.36
Rot. Bonds6

About [6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-3-pyridinyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone

[6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-3-pyridinyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone (PubChem CID 45177975) has the molecular formula C22H32N6O and a molecular weight of 396.54 g/mol. Its IUPAC name is [6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-3-pyridinyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-3-pyridinyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
PubChem CID45177975
Molecular FormulaC22H32N6O
Molecular Weight396.54 g/mol
Exact Mass396.26
IUPAC Name[6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-3-pyridinyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
SMILESCN(CC1CCCN1C)c1ccc(C(=O)N2CCC(Cn3cccn3)CC2)cn1
InChIInChI=1S/C22H32N6O/c1-25-11-3-5-20(25)17-26(2)21-7-6-19(15-23-21)22(29)27-13-8-18(9-14-27)16-28-12-4-10-24-28/h4,6-7,10,12,15,18,20H,3,5,8-9,11,13-14,16-17H2,1-2H3
InChIKeyULASPWIROQVGTO-UHFFFAOYSA-N
XLogP2.36
TPSA57.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[6-(diethylamino)-3-pyridinyl]-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95353897
[4-(pyrazol-1-ylmethyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 90495097
(4-methylphenyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 90494869
[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 25368785
[6-[(3-methylpiperidin-3-yl)methoxy]-3-pyridinyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 45191348
[6-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95193057
[6-[[(3R)-oxolan-3-yl]amino]-3-pyridinyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 25372870
5-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine
CID 79312980
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridine-3-carboxamide
CID 45244073
[4-[(dimethylamino)methyl]phenyl]-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95603955
(6-ethoxy-3-pyridinyl)-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95347058
[6-[methyl(1,2-oxazol-3-ylmethyl)amino]-3-pyridinyl]-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 51903482

Frequently Asked Questions

What is the IUPAC name of [6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-3-pyridinyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of [6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-3-pyridinyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone (CID 45177975) is [6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-3-pyridinyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-3-pyridinyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for [6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-3-pyridinyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone is CN(CC1CCCN1C)c1ccc(C(=O)N2CCC(Cn3cccn3)CC2)cn1.
What is the InChIKey of [6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-3-pyridinyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is ULASPWIROQVGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6O/c1-25-11-3-5-20(25)17-26(2)21-7-6-19(15-23-21)22(29)27-13-8-18(9-14-27)16-28-12-4-10-24-28/h4,6-7,10,12,15,18,20H,3,5,8-9,11,13-14,16-17H2,1-2H3.
What are the key properties of [6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-3-pyridinyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone?
[6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-3-pyridinyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 396.54 g/mol, XLogP of 2.36, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-3-pyridinyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 45177975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).